Open AccessTHEORETICAL CALCULATION OF SHG COEFFICIENTS OF Na2SbF5 CRYSTAL
Author(s) -
Wu Kechen,
Chuangtian Chen
Publication year - 1992
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.41.1436
Subject(s) - lone pair , crystal (programming language) , materials science , group (periodic table) , nonlinear optical , order (exchange) , molecular physics , atomic physics , nonlinear system , condensed matter physics , physics , quantum mechanics , molecule , computer science , programming language , finance , economics
The anionic group theory for nonlinear optical crystal has been applied to calculate SHG coefficients of Na2SbF5 crystal. The calculated dm is 4.48×10-10 esu, which agrees well with the experimental value. The theoretical results indicated an important fact that the major part of SHG coefficient is determined by the lone pair orbital of anionic group (SbF5)2-. Moreover, through analyzing the location of lone pair energy level, the reason why Na2SbF5 crystal has so small second-order susceptibility has been explained.